Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.39 |
| ▸ | KAT6A | Q92794 | 3/20 | 0.39 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL6283062 | 0.84 | NT5E (0.51) | ALDH1A1SMN1; SMN2KDM4EHDAC8LMNA | |
| Bromide SCHEMBL3887674 | 0.83 | CYP3A4 (0.38) | ALDH1A1RXRARXRBRXRGBRAF | |
| SCHEMBL7143390 | 0.82 | NT5E (0.52) | ALDH1A1SMN1; SMN2KDM4EHDAC8LMNA | |
| Bromide SCHEMBL6284308 | 0.82 | RAB9A (0.41) | ALDH1A1ROCK2ROCK1MAPTSMN1; SMN2 | |
| Bromide SCHEMBL6285189 | 0.81 | CES2 (0.51) | ALDH1A1TSHRCYP3A4HIF1ACYP1A2 | |
| Bromide SCHEMBL6284654 | 0.81 | TDP1 (0.49) | ALDH1A1SMN1; SMN2CYP3A4KDM4EALOX15 | |
| Bromide SCHEMBL6283033 | 0.81 | MAPK14 (0.39) | ALDH1A1TSHRROCK2KAT6AROCK1 | |
| Bromide SCHEMBL6283052 | 0.81 | NPC1 (0.53) | ALDH1A1ROCK2ROCK1MAPTCYP3A4 | |
| SCHEMBL7141616 | 0.80 | RAB9A (0.42) | ALDH1A1ROCK2ROCK1MAPTSMN1; SMN2 | |
| Bromide SCHEMBL6276149 | 0.80 | MEN1 (0.50) | ALDH1A1CYP3A4KDM4EHPGDHTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6962933-B1 | Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-08 | — | — | US | disclosed |
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| US-20040097555-A1 | Concomitant drugs | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-05-20 | — | — | US | disclosed |
| EP-1402900-A1 | MEDICINAL COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |
| EP-1354603-A1 | CONCOMITANT DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-22 | — | — | EP | disclosed |
| EP-1205478-A1 | p38MAP KINASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 2002-05-15 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050080113-A1 | Medicinal compositions | TNF, TRAF6, MMP8 | ALDH1A1 3345/4885TSHR 3997/4885RXRA 922/4885 |
| US-20040097555-A1 | Concomitant drugs | TNF, CHUK, CNKSR1 | ALDH1A1 3292/4885TSHR 2815/4885RXRA 1663/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.